SCHEMBL2036450

SCHEMBL2036450

C=Cc1cc(OC)c(OC)c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
CYP3A4 P08684 2/20 0.41
MAPT P10636 1/20 0.41
CA9 Q16790 1/20 0.41
TUBB4A P04350 4/20 0.41
TUBB P07437 4/20 0.41
TUBA3C P0DPH7 4/20 0.41
TUBA1B P68363 4/20 0.41
TUBA4A P68366 4/20 0.41
TUBB4B P68371 4/20 0.41
TUBB3 Q13509 4/20 0.41
TUBB2A Q13885 4/20 0.41
TUBB8 Q3ZCM7 4/20 0.41
TUBA3E Q6PEY2 4/20 0.41
TUBA1A Q71U36 4/20 0.41
TUBA1C Q9BQE3 4/20 0.41
TUBB6 Q9BUF5 4/20 0.41
TUBB2B Q9BVA1 4/20 0.41
TUBB1 Q9H4B7 4/20 0.41
CYP1A1 P04798 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15899630 0.79 ALDH1A1 (0.52) CYP3A4CYP1A1CYP1B1KDM4EALDH1A1
SCHEMBL3751505 0.78 ALDH1A1 (0.59) ACHECYP3A4MAPTCA9TUBB1
SCHEMBL1480652 0.78 CYP1A1 (0.53) MAPTCYP1A1CYP1B1KDM4EALDH1A1
SCHEMBL8348600 0.78 CYP19A1 (0.44) ACHECYP3A4MAPTCA9TUBB4A
SCHEMBL14965876 0.77 PDE4A (0.40) ACHECYP3A4MAPTCA9TUBB4A
SCHEMBL22991671 0.77 MCL1 (0.43)
Isoallyltetramethoxybenzene SCHEMBL28541950 0.77 CYP3A4 (0.61) ACHECYP3A4MAPTCA9TUBB4A
SCHEMBL679526 0.75 ACHE (0.60) ACHECYP3A4MAPTCA9TUBB4A
SCHEMBL28768613 0.75 TUBB4A (0.42) ACHECYP3A4MAPTCA9TUBB4A
SCHEMBL8563051 0.75 ALDH1A1 (0.48) ACHEMAPTCA9TUBB4ATUBB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115702251-A Detection of advanced adenomas and/or early colorectal cancer 通用诊断公司 2023-02-14 CN disclosed
US-10246536-B2 Functionalized highly syndiotactic polystyrene and preparation method thereof CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2019-04-02 US disclosed
US-20170335036-A1 FUNCTIONALIZED HIGHLY SYNDIOTACTIC POLYSTYRENE AND PREPARATION METHOD THEREOF CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2017-11-23 US disclosed
US-20170335036-A1 FUNCTIONALIZED HIGHLY SYNDIOTACTIC POLYSTYRENE AND PREPARATION METHOD THEREOF CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2017-11-23 US disclosed
US-9551712-B2 Volatile organic compounds as diagnostic markers for various types of cancer TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2017-01-24 US disclosed
EP-2330173-B1 A RADIAL TYPE LIQUID CRYSTAL COMPOUND, AND AN OPTICAL FILM AND LIQUID CRYSTAL DISPLAY (LCD) DEVICE CONTAINING COMPOUND LG CHEMICAL LTD (KR) 2016-08-17 EP disclosed
US-20120326092-A1 VOLATILE ORGANIC COMPOUNDS AS DIAGNOSTIC MARKERS FOR VARIOUS TYPES OF CANCER TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-12-27 US disclosed
US-8339567-B2 Radial-shaped liquid crystal compound, and optical film and liquid crystal display device comprising the same LG CHEM, LTD. (KR) 2012-12-25 US disclosed
US-20110181826-A1 RADIAL-SHAPED LIQUID CRYSTAL COMPOUND, AND OPTICAL FILM AND LIQUID CRYSTAL DISPLAY DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2011-07-28 US disclosed
EP-2330173-A2 A RADIAL TYPE LIQUID CRYSTAL COMPOUND, AND AN OPTICAL FILM AND LIQUID CRYSTAL DISPLAY (LCD) DEVICE CONTAINING COMPOUND LG Chem, Ltd. (KR) 2011-06-08 EP disclosed
CN-1561215-A Salts of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid compounds used as nmda antagonist GRUENENTHAL GMBH (DE) 2005-01-05 CN disclosed
US-20040224969-A1 Salts of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid compounds GRUENENTHAL GMBH (DE) 2004-11-11 US disclosed
US-6699877-B2 TREATING PAIN, MIGRAINE, AND VARIOUS OTHER DISEASES GRUENENTHAL GMBH (DE) 2004-03-02 US disclosed
US-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives GRUENENTHAL GMBH 2003-05-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives SDHA, CACNA1A, GRIN2C ACHE 158/4885CYP3A4 207/4885MAPT 1450/4885
US-20110181826-A1 RADIAL-SHAPED LIQUID CRYSTAL COMPOUND, AND OPTICAL FILM AND LIQUID CRYSTAL DISPLAY DEVICE COMPRISING THE SAME CXCR1, NLRP1, RCC1 ACHE 3076/4885CYP3A4 2002/4885MAPT 213/4885
US-20040224969-A1 Salts of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid compounds OPRK1, SDHA, GRIN2C ACHE 291/4885CYP3A4 90/4885MAPT 1306/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.